(3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide

C20H29N3O2 — CID 94467987

IUPAC(3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(c2ccc(C(=O)NC3CCCCCC3)cc2)C1
InChIInChI=1S/C20H29N3O2/c21-19(24)16-6-5-13-23(14-16)18-11-9-15(10-12-18)20(25)22-17-7-3-1-2-4-8-17/h9-12,16-17H,1-8,13-14H2,(H2,21,24)(H,22,25)/t16-/m0/s1
InChIKeyYNIVZFFJDIOCPY-INIZCTEOSA-N
MW343.47 g/mol
LogP2.84
Rot. Bonds4

About (3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide

(3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 94467987) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID94467987
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(c2ccc(C(=O)NC3CCCCCC3)cc2)C1
InChIInChI=1S/C20H29N3O2/c21-19(24)16-6-5-13-23(14-16)18-11-9-15(10-12-18)20(25)22-17-7-3-1-2-4-8-17/h9-12,16-17H,1-8,13-14H2,(H2,21,24)(H,22,25)/t16-/m0/s1
InChIKeyYNIVZFFJDIOCPY-INIZCTEOSA-N
XLogP2.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]piperidine-3-carboxamide
CID 138998650
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide
CID 56799433
1-[4-(2,3-dihydro-1-benzofuran-3-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 71881920
1-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 47064463
(3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 58585895
1-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 47069872
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
(3R)-1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide
CID 94506074
N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384630
1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 51124631
(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide
CID 33114657

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 94467987) is (3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(c2ccc(C(=O)NC3CCCCCC3)cc2)C1.
What is the InChIKey of (3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is YNIVZFFJDIOCPY-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N3O2/c21-19(24)16-6-5-13-23(14-16)18-11-9-15(10-12-18)20(25)22-17-7-3-1-2-4-8-17/h9-12,16-17H,1-8,13-14H2,(H2,21,24)(H,22,25)/t16-/m0/s1.
What are the key properties of (3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide?
(3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 94467987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).