1-[4-[4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]butan-1-one

C20H38N4O — CID 70307177

IUPAC1-[4-[4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(N2CCC(N[C@@H]3CCCC[C@H]3N)CC2)CC1
InChIInChI=1S/C20H38N4O/c1-2-5-20(25)24-14-10-17(11-15-24)23-12-8-16(9-13-23)22-19-7-4-3-6-18(19)21/h16-19,22H,2-15,21H2,1H3/t18-,19-/m1/s1
InChIKeyTZESVLJONXATIT-RTBURBONSA-N
MW350.55 g/mol
LogP2.10
Rot. Bonds5

About 1-[4-[4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]butan-1-one

1-[4-[4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]butan-1-one (PubChem CID 70307177) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-[4-[4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]butan-1-one
PubChem CID70307177
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC Name1-[4-[4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(N2CCC(N[C@@H]3CCCC[C@H]3N)CC2)CC1
InChIInChI=1S/C20H38N4O/c1-2-5-20(25)24-14-10-17(11-15-24)23-12-8-16(9-13-23)22-19-7-4-3-6-18(19)21/h16-19,22H,2-15,21H2,1H3/t18-,19-/m1/s1
InChIKeyTZESVLJONXATIT-RTBURBONSA-N
XLogP2.10
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
CID 54447693
tert-butyl 4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidine-1-carboxylate
CID 59991040
1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea
CID 110819357
(3S)-3-[4-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyrrolidine-1-carboxylic acid
CID 68631051
1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42693440
ethyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 110819279
benzyl 4-[(2-aminocyclohexyl)amino]piperidine-1-carboxylate
CID 67214786
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278
1-(4-cyclopentylpiperazin-1-yl)-3-(cyclopropylamino)propan-1-one
CID 62368291
ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate
CID 58136060

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]butan-1-one (CID 70307177) is 1-[4-[4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(N2CCC(N[C@@H]3CCCC[C@H]3N)CC2)CC1.
What is the InChIKey of 1-[4-[4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]butan-1-one?
The InChIKey is TZESVLJONXATIT-RTBURBONSA-N. The full InChI is InChI=1S/C20H38N4O/c1-2-5-20(25)24-14-10-17(11-15-24)23-12-8-16(9-13-23)22-19-7-4-3-6-18(19)21/h16-19,22H,2-15,21H2,1H3/t18-,19-/m1/s1.
What are the key properties of 1-[4-[4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]butan-1-one?
1-[4-[4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]butan-1-one has a molecular weight of 350.55 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 70307177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).