N'-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]pentanediamide

C21H38N4O3 — CID 23532326

IUPACN'-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]pentanediamide
SMILESNC(=O)CCCC(=O)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C21H38N4O3/c22-19(26)9-4-10-20(27)23-12-11-21(28)24-14-18-8-5-13-25(16-18)15-17-6-2-1-3-7-17/h17-18H,1-16H2,(H2,22,26)(H,23,27)(H,24,28)/t18-/m1/s1
InChIKeyFAMSSZBUGAJHFD-GOSISDBHSA-N
MW394.56 g/mol
LogP1.56
Rot. Bonds11

About N'-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]pentanediamide

N'-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]pentanediamide (PubChem CID 23532326) has the molecular formula C21H38N4O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is N'-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]pentanediamide.

Molecular Properties

Compound NameN'-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]pentanediamide
PubChem CID23532326
Molecular FormulaC21H38N4O3
Molecular Weight394.56 g/mol
Exact Mass394.29
IUPAC NameN'-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]pentanediamide
SMILESNC(=O)CCCC(=O)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C21H38N4O3/c22-19(26)9-4-10-20(27)23-12-11-21(28)24-14-18-8-5-13-25(16-18)15-17-6-2-1-3-7-17/h17-18H,1-16H2,(H2,22,26)(H,23,27)(H,24,28)/t18-/m1/s1
InChIKeyFAMSSZBUGAJHFD-GOSISDBHSA-N
XLogP1.56
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]pentanediamide?
The IUPAC name of N'-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]pentanediamide (CID 23532326) is N'-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]pentanediamide.
What is the SMILES notation for N'-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]pentanediamide?
The canonical SMILES for N'-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]pentanediamide is NC(=O)CCCC(=O)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1.
What is the InChIKey of N'-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]pentanediamide?
The InChIKey is FAMSSZBUGAJHFD-GOSISDBHSA-N. The full InChI is InChI=1S/C21H38N4O3/c22-19(26)9-4-10-20(27)23-12-11-21(28)24-14-18-8-5-13-25(16-18)15-17-6-2-1-3-7-17/h17-18H,1-16H2,(H2,22,26)(H,23,27)(H,24,28)/t18-/m1/s1.
What are the key properties of N'-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]pentanediamide?
N'-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]pentanediamide has a molecular weight of 394.56 g/mol, XLogP of 1.56, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]pentanediamide is sourced from PubChem (CID 23532326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).