N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide

C18H28N4O2 — CID 146086990

IUPACN-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(NC(=O)CCc2ccncc2)CC1
InChIInChI=1S/C18H28N4O2/c1-18(2,3)21-17(24)22-12-8-15(9-13-22)20-16(23)5-4-14-6-10-19-11-7-14/h6-7,10-11,15H,4-5,8-9,12-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyUFKHSZAORIHWOH-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.10
Rot. Bonds4

About N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide

N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide (PubChem CID 146086990) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide
PubChem CID146086990
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(NC(=O)CCc2ccncc2)CC1
InChIInChI=1S/C18H28N4O2/c1-18(2,3)21-17(24)22-12-8-15(9-13-22)20-16(23)5-4-14-6-10-19-11-7-14/h6-7,10-11,15H,4-5,8-9,12-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyUFKHSZAORIHWOH-UHFFFAOYSA-N
XLogP2.10
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxamide
CID 146087712
N-tert-butyl-4-(3-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide
CID 138997895
N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyridin-4-ylpropanamide
CID 125176299
3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91791895
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide
CID 110819897
N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738132
3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 110821216
4-acetamido-N-tert-butylpiperidine-1-carboxamide
CID 110748466
N-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide
CID 114289940
N-[1-(tert-butylcarbamoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110822407
tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 51124373
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide (CID 146086990) is N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(NC(=O)CCc2ccncc2)CC1.
What is the InChIKey of N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide?
The InChIKey is UFKHSZAORIHWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-18(2,3)21-17(24)22-12-8-15(9-13-22)20-16(23)5-4-14-6-10-19-11-7-14/h6-7,10-11,15H,4-5,8-9,12-13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide?
N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 146086990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).