N-cyclopropyl-1-[1-(1-methylazepane-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide

C22H38N4O2 — CID 45194629

IUPACN-cyclopropyl-1-[1-(1-methylazepane-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCN1CCCCCC1C(=O)N1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1
InChIInChI=1S/C22H38N4O2/c1-24-12-4-2-3-5-20(24)22(28)26-15-10-19(11-16-26)25-13-8-17(9-14-25)21(27)23-18-6-7-18/h17-20H,2-16H2,1H3,(H,23,27)
InChIKeyNRHRTQXQDGYVOV-UHFFFAOYSA-N
MW390.57 g/mol
LogP1.84
Rot. Bonds4

About N-cyclopropyl-1-[1-(1-methylazepane-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide

N-cyclopropyl-1-[1-(1-methylazepane-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 45194629) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-(1-methylazepane-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-(1-methylazepane-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID45194629
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC NameN-cyclopropyl-1-[1-(1-methylazepane-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCN1CCCCCC1C(=O)N1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1
InChIInChI=1S/C22H38N4O2/c1-24-12-4-2-3-5-20(24)22(28)26-15-10-19(11-16-26)25-13-8-17(9-14-25)21(27)23-18-6-7-18/h17-20H,2-16H2,1H3,(H,23,27)
InChIKeyNRHRTQXQDGYVOV-UHFFFAOYSA-N
XLogP1.84
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-(1-methylazepane-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-(1-methylazepane-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide (CID 45194629) is N-cyclopropyl-1-[1-(1-methylazepane-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-(1-methylazepane-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-(1-methylazepane-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide is CN1CCCCCC1C(=O)N1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1.
What is the InChIKey of N-cyclopropyl-1-[1-(1-methylazepane-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is NRHRTQXQDGYVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O2/c1-24-12-4-2-3-5-20(24)22(28)26-15-10-19(11-16-26)25-13-8-17(9-14-25)21(27)23-18-6-7-18/h17-20H,2-16H2,1H3,(H,23,27).
What are the key properties of N-cyclopropyl-1-[1-(1-methylazepane-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide?
N-cyclopropyl-1-[1-(1-methylazepane-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 390.57 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-(1-methylazepane-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 45194629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).