1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-ylheptyl]piperidine-4-carboxamide

C28H35N5O2 — CID 87331269

IUPAC1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-ylheptyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)N[C@@H](CCCCCC(=O)c2ccccn2)c2ncc(-c3ccccc3)[nH]2)CC1
InChIInChI=1S/C28H35N5O2/c1-33-18-15-22(16-19-33)28(35)32-24(27-30-20-25(31-27)21-10-4-2-5-11-21)13-6-3-7-14-26(34)23-12-8-9-17-29-23/h2,4-5,8-12,17,20,22,24H,3,6-7,13-16,18-19H2,1H3,(H,30,31)(H,32,35)/t24-/m0/s1
InChIKeyNBHIUHBQRKSJFW-DEOSSOPVSA-N
MW473.62 g/mol
LogP4.80
Rot. Bonds11

About 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-ylheptyl]piperidine-4-carboxamide

1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-ylheptyl]piperidine-4-carboxamide (PubChem CID 87331269) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-ylheptyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-ylheptyl]piperidine-4-carboxamide
PubChem CID87331269
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC Name1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-ylheptyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)N[C@@H](CCCCCC(=O)c2ccccn2)c2ncc(-c3ccccc3)[nH]2)CC1
InChIInChI=1S/C28H35N5O2/c1-33-18-15-22(16-19-33)28(35)32-24(27-30-20-25(31-27)21-10-4-2-5-11-21)13-6-3-7-14-26(34)23-12-8-9-17-29-23/h2,4-5,8-12,17,20,22,24H,3,6-7,13-16,18-19H2,1H3,(H,30,31)(H,32,35)/t24-/m0/s1
InChIKeyNBHIUHBQRKSJFW-DEOSSOPVSA-N
XLogP4.80
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 72346
CID 72346
CID 126487
CID 126487
CID 58548285
CID 58548285
CID 58548376
CID 58548376
CID 453217
CID 453217
CID 453391
CID 453391
CID 462952
CID 462952
CID 453386
CID 453386
CID 453387
CID 453387
CID 462955
CID 462955
CID 470743
CID 470743
CID 11267154
CID 11267154

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-ylheptyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-ylheptyl]piperidine-4-carboxamide (CID 87331269) is 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-ylheptyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-ylheptyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-ylheptyl]piperidine-4-carboxamide is CN1CCC(C(=O)N[C@@H](CCCCCC(=O)c2ccccn2)c2ncc(-c3ccccc3)[nH]2)CC1.
What is the InChIKey of 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-ylheptyl]piperidine-4-carboxamide?
The InChIKey is NBHIUHBQRKSJFW-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-33-18-15-22(16-19-33)28(35)32-24(27-30-20-25(31-27)21-10-4-2-5-11-21)13-6-3-7-14-26(34)23-12-8-9-17-29-23/h2,4-5,8-12,17,20,22,24H,3,6-7,13-16,18-19H2,1H3,(H,30,31)(H,32,35)/t24-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-ylheptyl]piperidine-4-carboxamide?
1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-ylheptyl]piperidine-4-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 4.80, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)-7-pyridin-2-ylheptyl]piperidine-4-carboxamide is sourced from PubChem (CID 87331269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).