N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide

C24H37N3O2 — CID 119763648

IUPACN-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide
SMILESCCC(C(=O)N1CCC(NC(=O)CC(C)C2CCCNC2)CC1)c1ccccc1
InChIInChI=1S/C24H37N3O2/c1-3-22(19-8-5-4-6-9-19)24(29)27-14-11-21(12-15-27)26-23(28)16-18(2)20-10-7-13-25-17-20/h4-6,8-9,18,20-22,25H,3,7,10-17H2,1-2H3,(H,26,28)
InChIKeyAEKWSVUPUOTCRJ-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.31
Rot. Bonds7

About N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide

N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide (PubChem CID 119763648) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide
PubChem CID119763648
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC NameN-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide
SMILESCCC(C(=O)N1CCC(NC(=O)CC(C)C2CCCNC2)CC1)c1ccccc1
InChIInChI=1S/C24H37N3O2/c1-3-22(19-8-5-4-6-9-19)24(29)27-14-11-21(12-15-27)26-23(28)16-18(2)20-10-7-13-25-17-20/h4-6,8-9,18,20-22,25H,3,7,10-17H2,1-2H3,(H,26,28)
InChIKeyAEKWSVUPUOTCRJ-UHFFFAOYSA-N
XLogP3.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700552
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426
N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 119311950
3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 81048676
N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119879223
N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide
CID 119877367
N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119840395
N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 119851531
2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119763651
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide (CID 119763648) is N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide is CCC(C(=O)N1CCC(NC(=O)CC(C)C2CCCNC2)CC1)c1ccccc1.
What is the InChIKey of N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide?
The InChIKey is AEKWSVUPUOTCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-3-22(19-8-5-4-6-9-19)24(29)27-14-11-21(12-15-27)26-23(28)16-18(2)20-10-7-13-25-17-20/h4-6,8-9,18,20-22,25H,3,7,10-17H2,1-2H3,(H,26,28).
What are the key properties of N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide?
N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide has a molecular weight of 399.58 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119763648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).