N-[4-(2,2-dimethylpropylamino)cyclohexyl]-1-(2-methylpropyl)piperidine-4-carboxamide

C21H41N3O — CID 176726295

IUPACN-[4-(2,2-dimethylpropylamino)cyclohexyl]-1-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CN1CCC(C(=O)NC2CCC(NCC(C)(C)C)CC2)CC1
InChIInChI=1S/C21H41N3O/c1-16(2)14-24-12-10-17(11-13-24)20(25)23-19-8-6-18(7-9-19)22-15-21(3,4)5/h16-19,22H,6-15H2,1-5H3,(H,23,25)
InChIKeyDBSDJTAMABEGKW-UHFFFAOYSA-N
MW351.58 g/mol
LogP3.42
Rot. Bonds6

About N-[4-(2,2-dimethylpropylamino)cyclohexyl]-1-(2-methylpropyl)piperidine-4-carboxamide

N-[4-(2,2-dimethylpropylamino)cyclohexyl]-1-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 176726295) has the molecular formula C21H41N3O and a molecular weight of 351.58 g/mol. Its IUPAC name is N-[4-(2,2-dimethylpropylamino)cyclohexyl]-1-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2-dimethylpropylamino)cyclohexyl]-1-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID176726295
Molecular FormulaC21H41N3O
Molecular Weight351.58 g/mol
Exact Mass351.32
IUPAC NameN-[4-(2,2-dimethylpropylamino)cyclohexyl]-1-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CN1CCC(C(=O)NC2CCC(NCC(C)(C)C)CC2)CC1
InChIInChI=1S/C21H41N3O/c1-16(2)14-24-12-10-17(11-13-24)20(25)23-19-8-6-18(7-9-19)22-15-21(3,4)5/h16-19,22H,6-15H2,1-5H3,(H,23,25)
InChIKeyDBSDJTAMABEGKW-UHFFFAOYSA-N
XLogP3.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.58
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103640946
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine;hydrochloride
CID 115607087
3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119841081
(3R)-N-cyclopropyl-1-[1-(2-methylpropyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26323417
N,1-bis(2-methylpropyl)piperidine-4-carboxamide
CID 883892
4-(cyclopropanecarbonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 110822547
methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83994928
N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide
CID 103777486
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119841086
N-[4-(ethylamino)cyclohexyl]cyclopropanecarboxamide
CID 43653371
2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 83623800

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethylpropylamino)cyclohexyl]-1-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(2,2-dimethylpropylamino)cyclohexyl]-1-(2-methylpropyl)piperidine-4-carboxamide (CID 176726295) is N-[4-(2,2-dimethylpropylamino)cyclohexyl]-1-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2,2-dimethylpropylamino)cyclohexyl]-1-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(2,2-dimethylpropylamino)cyclohexyl]-1-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CN1CCC(C(=O)NC2CCC(NCC(C)(C)C)CC2)CC1.
What is the InChIKey of N-[4-(2,2-dimethylpropylamino)cyclohexyl]-1-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is DBSDJTAMABEGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O/c1-16(2)14-24-12-10-17(11-13-24)20(25)23-19-8-6-18(7-9-19)22-15-21(3,4)5/h16-19,22H,6-15H2,1-5H3,(H,23,25).
What are the key properties of N-[4-(2,2-dimethylpropylamino)cyclohexyl]-1-(2-methylpropyl)piperidine-4-carboxamide?
N-[4-(2,2-dimethylpropylamino)cyclohexyl]-1-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 351.58 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethylpropylamino)cyclohexyl]-1-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 176726295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).