cyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide

C21H42N4O — CID 68573955

IUPACcyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(N2CCN(C(C)C)CC2)CC1.NC1CCCCC1
InChIInChI=1S/C15H29N3O.C6H13N/c1-12(2)17-8-10-18(11-9-17)15-6-4-14(5-7-15)16-13(3)19;7-6-4-2-1-3-5-6/h12,14-15H,4-11H2,1-3H3,(H,16,19);6H,1-5,7H2
InChIKeyOLHYAQXDTRLXEA-UHFFFAOYSA-N
MW366.59 g/mol
LogP2.74
Rot. Bonds3

About cyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide

cyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide (PubChem CID 68573955) has the molecular formula C21H42N4O and a molecular weight of 366.59 g/mol. Its IUPAC name is cyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Namecyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide
PubChem CID68573955
Molecular FormulaC21H42N4O
Molecular Weight366.59 g/mol
Exact Mass366.34
IUPAC Namecyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(N2CCN(C(C)C)CC2)CC1.NC1CCCCC1
InChIInChI=1S/C15H29N3O.C6H13N/c1-12(2)17-8-10-18(11-9-17)15-6-4-14(5-7-15)16-13(3)19;7-6-4-2-1-3-5-6/h12,14-15H,4-11H2,1-3H3,(H,16,19);6H,1-5,7H2
InChIKeyOLHYAQXDTRLXEA-UHFFFAOYSA-N
XLogP2.74
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 156836562
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
N-cyclopropyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 3229556
1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine
CID 126892268
(1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 136532653
(2R)-2-amino-N-(1-cyclopentylpiperidin-4-yl)propanamide
CID 119846668
cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 130296017
4-amino-3-(4-cyclopentylpiperazin-1-yl)-N-cyclopropylbutanamide
CID 66432440
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
2-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]ethanol
CID 156683774
N-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 28955653

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide?
The IUPAC name of cyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide (CID 68573955) is cyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide.
What is the SMILES notation for cyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide?
The canonical SMILES for cyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide is CC(=O)NC1CCC(N2CCN(C(C)C)CC2)CC1.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide?
The InChIKey is OLHYAQXDTRLXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.C6H13N/c1-12(2)17-8-10-18(11-9-17)15-6-4-14(5-7-15)16-13(3)19;7-6-4-2-1-3-5-6/h12,14-15H,4-11H2,1-3H3,(H,16,19);6H,1-5,7H2.
What are the key properties of cyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide?
cyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide has a molecular weight of 366.59 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;N-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]acetamide is sourced from PubChem (CID 68573955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).