[4-amino-1-(propan-2-ylamino)cyclohexyl]-(4-benzylpiperazin-1-yl)methanone

C21H34N4O — CID 70312560

IUPAC[4-amino-1-(propan-2-ylamino)cyclohexyl]-(4-benzylpiperazin-1-yl)methanone
SMILESCC(C)NC1(C(=O)N2CCN(Cc3ccccc3)CC2)CCC(N)CC1
InChIInChI=1S/C21H34N4O/c1-17(2)23-21(10-8-19(22)9-11-21)20(26)25-14-12-24(13-15-25)16-18-6-4-3-5-7-18/h3-7,17,19,23H,8-16,22H2,1-2H3
InChIKeyWPUCJFSOEUVSKD-UHFFFAOYSA-N
MW358.53 g/mol
LogP1.97
Rot. Bonds5

About [4-amino-1-(propan-2-ylamino)cyclohexyl]-(4-benzylpiperazin-1-yl)methanone

[4-amino-1-(propan-2-ylamino)cyclohexyl]-(4-benzylpiperazin-1-yl)methanone (PubChem CID 70312560) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is [4-amino-1-(propan-2-ylamino)cyclohexyl]-(4-benzylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-1-(propan-2-ylamino)cyclohexyl]-(4-benzylpiperazin-1-yl)methanone
PubChem CID70312560
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name[4-amino-1-(propan-2-ylamino)cyclohexyl]-(4-benzylpiperazin-1-yl)methanone
SMILESCC(C)NC1(C(=O)N2CCN(Cc3ccccc3)CC2)CCC(N)CC1
InChIInChI=1S/C21H34N4O/c1-17(2)23-21(10-8-19(22)9-11-21)20(26)25-14-12-24(13-15-25)16-18-6-4-3-5-7-18/h3-7,17,19,23H,8-16,22H2,1-2H3
InChIKeyWPUCJFSOEUVSKD-UHFFFAOYSA-N
XLogP1.97
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-amino-1-(propan-2-ylamino)cyclohexyl]-(4-benzylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone
CID 119399365
(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119399364
3-amino-1-(4-benzylpiperazin-1-yl)-2-methylbutan-1-one;dihydrochloride
CID 120502407
1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone
CID 128985646
1-(4-benzylpiperazine-1-carbonyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 108978115
(4-benzylpiperazin-1-yl)-[6-bromo-4-(dibromomethyl)-5,5-dimethyl-1-bicyclo[2.1.1]hexanyl]methanone
CID 4861363
(2R)-2-amino-1-(4-benzyl-1,4-diazepan-1-yl)propan-1-one;dihydrochloride
CID 119399410
1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119872708
1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride
CID 119826750
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide
CID 120503600

Frequently Asked Questions

What is the IUPAC name of [4-amino-1-(propan-2-ylamino)cyclohexyl]-(4-benzylpiperazin-1-yl)methanone?
The IUPAC name of [4-amino-1-(propan-2-ylamino)cyclohexyl]-(4-benzylpiperazin-1-yl)methanone (CID 70312560) is [4-amino-1-(propan-2-ylamino)cyclohexyl]-(4-benzylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-amino-1-(propan-2-ylamino)cyclohexyl]-(4-benzylpiperazin-1-yl)methanone?
The canonical SMILES for [4-amino-1-(propan-2-ylamino)cyclohexyl]-(4-benzylpiperazin-1-yl)methanone is CC(C)NC1(C(=O)N2CCN(Cc3ccccc3)CC2)CCC(N)CC1.
What is the InChIKey of [4-amino-1-(propan-2-ylamino)cyclohexyl]-(4-benzylpiperazin-1-yl)methanone?
The InChIKey is WPUCJFSOEUVSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-17(2)23-21(10-8-19(22)9-11-21)20(26)25-14-12-24(13-15-25)16-18-6-4-3-5-7-18/h3-7,17,19,23H,8-16,22H2,1-2H3.
What are the key properties of [4-amino-1-(propan-2-ylamino)cyclohexyl]-(4-benzylpiperazin-1-yl)methanone?
[4-amino-1-(propan-2-ylamino)cyclohexyl]-(4-benzylpiperazin-1-yl)methanone has a molecular weight of 358.53 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-(propan-2-ylamino)cyclohexyl]-(4-benzylpiperazin-1-yl)methanone is sourced from PubChem (CID 70312560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).