N-tert-butyl-4-pyrrolidin-3-ylpiperidine-1-carboxamide

C14H27N3O — CID 110197846

IUPACN-tert-butyl-4-pyrrolidin-3-ylpiperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C14H27N3O/c1-14(2,3)16-13(18)17-8-5-11(6-9-17)12-4-7-15-10-12/h11-12,15H,4-10H2,1-3H3,(H,16,18)
InChIKeyZICIECOBTWNBGO-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.82
Rot. Bonds1

About N-tert-butyl-4-pyrrolidin-3-ylpiperidine-1-carboxamide

N-tert-butyl-4-pyrrolidin-3-ylpiperidine-1-carboxamide (PubChem CID 110197846) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-tert-butyl-4-pyrrolidin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-pyrrolidin-3-ylpiperidine-1-carboxamide
PubChem CID110197846
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-tert-butyl-4-pyrrolidin-3-ylpiperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C14H27N3O/c1-14(2,3)16-13(18)17-8-5-11(6-9-17)12-4-7-15-10-12/h11-12,15H,4-10H2,1-3H3,(H,16,18)
InChIKeyZICIECOBTWNBGO-UHFFFAOYSA-N
XLogP1.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Piperidin-4-yl)methyl]imidazolidin-2-one
CID 61649405
1-Methyl-1,3,8-triazaspiro(4.5)decan-2-one
CID 75355841
(4aS,7aS)-N-(2-methylpropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 97377267
N-cyclopentyl-3-(1-methyl-4-piperidyl)-1-pyrrolidinecarboxamide
CID 91921271
3,3-Dimethyl-1-((1-methylpiperidin-4-yl)methyl)urea
CID 112688391
N-butyl-4-methylpiperidine-1-carboxamide
CID 6467412
N-butyl-3,5-dimethyl-1-piperidinecarboxamide
CID 2926433
(5R)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234965
N-(tert-butyl)-4-((3-ethylureido)methyl)piperidine-1-carboxamide
CID 49688113
4-[1-(Tert-butylcarbamoyl)pyrrolidin-3-YL]-N-methylpiperidine-1-carboxamide
CID 91910237
3-(1-Acetylpiperidin-4-YL)-N-ethylpyrrolidine-1-carboxamide
CID 91921317
N-Methyl-4-{1-[(propan-2-YL)carbamoyl]pyrrolidin-3-YL}piperidine-1-carboxamide
CID 91921393

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-pyrrolidin-3-ylpiperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-pyrrolidin-3-ylpiperidine-1-carboxamide (CID 110197846) is N-tert-butyl-4-pyrrolidin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-pyrrolidin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-pyrrolidin-3-ylpiperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(C2CCNC2)CC1.
What is the InChIKey of N-tert-butyl-4-pyrrolidin-3-ylpiperidine-1-carboxamide?
The InChIKey is ZICIECOBTWNBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(2,3)16-13(18)17-8-5-11(6-9-17)12-4-7-15-10-12/h11-12,15H,4-10H2,1-3H3,(H,16,18).
What are the key properties of N-tert-butyl-4-pyrrolidin-3-ylpiperidine-1-carboxamide?
N-tert-butyl-4-pyrrolidin-3-ylpiperidine-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-pyrrolidin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 110197846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).