2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide

C23H37N5O — CID 110040928

IUPAC2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCC(c1ccccc1)N1CCC(N/C(=N/CC(=O)N(C)C)NC2CCCC2)CC1
InChIInChI=1S/C23H37N5O/c1-18(19-9-5-4-6-10-19)28-15-13-21(14-16-28)26-23(24-17-22(29)27(2)3)25-20-11-7-8-12-20/h4-6,9-10,18,20-21H,7-8,11-17H2,1-3H3,(H2,24,25,26)
InChIKeySODNCGCWIKEZMD-UHFFFAOYSA-N
MW399.58 g/mol
LogP2.78
Rot. Bonds6

About 2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110040928) has the molecular formula C23H37N5O and a molecular weight of 399.58 g/mol. Its IUPAC name is 2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110040928
Molecular FormulaC23H37N5O
Molecular Weight399.58 g/mol
Exact Mass399.30
IUPAC Name2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCC(c1ccccc1)N1CCC(N/C(=N/CC(=O)N(C)C)NC2CCCC2)CC1
InChIInChI=1S/C23H37N5O/c1-18(19-9-5-4-6-10-19)28-15-13-21(14-16-28)26-23(24-17-22(29)27(2)3)25-20-11-7-8-12-20/h4-6,9-10,18,20-21H,7-8,11-17H2,1-3H3,(H2,24,25,26)
InChIKeySODNCGCWIKEZMD-UHFFFAOYSA-N
XLogP2.78
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(3-ethoxypropylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110040960
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide
CID 110040963
N,N-dimethyl-2-[[[[1-(1-phenylethyl)piperidin-4-yl]amino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110040953
2-[[(cyclopentylamino)-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111841779
2-[[[(1-cyclopropylpiperidin-4-yl)amino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110038875
2-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119116690
2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(cyclohexylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043169
N,N-dimethyl-2-[[(propan-2-ylamino)-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide
CID 119139955
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-[(1-phenylpiperidin-4-yl)amino]methylidene]amino]acetamide;hydroiodide
CID 110040324
2-[[(cyclohexylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119115662
2-[[(cyclohexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111134761
N,N-dimethyl-2-[[(1-phenylethylamino)-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]acetamide;hydroiodide
CID 110042381

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide (CID 110040928) is 2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide is CC(c1ccccc1)N1CCC(N/C(=N/CC(=O)N(C)C)NC2CCCC2)CC1.
What is the InChIKey of 2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is SODNCGCWIKEZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O/c1-18(19-9-5-4-6-10-19)28-15-13-21(14-16-28)26-23(24-17-22(29)27(2)3)25-20-11-7-8-12-20/h4-6,9-10,18,20-21H,7-8,11-17H2,1-3H3,(H2,24,25,26).
What are the key properties of 2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 399.58 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclopentylamino)-[[1-(1-phenylethyl)piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110040928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).