N-[2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide

C21H32N4O — CID 111152410

IUPACN-[2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
SMILESCCN/C(=N\CCNC(=O)C1CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H32N4O/c1-2-22-21(24-13-12-23-20(26)19-8-9-19)25-14-10-18(11-15-25)16-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3,(H,22,24)(H,23,26)
InChIKeyRJVOEQVPGIPCEC-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.43
Rot. Bonds7

About N-[2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide

N-[2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide (PubChem CID 111152410) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
PubChem CID111152410
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC NameN-[2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
SMILESCCN/C(=N\CCNC(=O)C1CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H32N4O/c1-2-22-21(24-13-12-23-20(26)19-8-9-19)25-14-10-18(11-15-25)16-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3,(H,22,24)(H,23,26)
InChIKeyRJVOEQVPGIPCEC-UHFFFAOYSA-N
XLogP2.43
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(3-benzylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111724549
4-benzyl-N-ethyl-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111152663
4-benzyl-N-ethyl-N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide
CID 111152474
4-benzyl-N-ethyl-N'-(2-methylsulfonylethyl)piperidine-1-carboximidamide
CID 111152524
4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide
CID 111152726
4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111152565
4-benzyl-N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111152790
4-benzyl-N-ethyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111152653
methyl 1-[N'-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111977381
N-[2-[[ethylamino-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111218601
3-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111152458
3-benzyl-N-ethyl-N'-(2-hydroxyethyl)pyrrolidine-1-carboximidamide
CID 111991001

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide (CID 111152410) is N-[2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide is CCN/C(=N\CCNC(=O)C1CC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is RJVOEQVPGIPCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-2-22-21(24-13-12-23-20(26)19-8-9-19)25-14-10-18(11-15-25)16-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3,(H,22,24)(H,23,26).
What are the key properties of N-[2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 356.51 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 111152410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).