N-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide

C14H27N3O — CID 63259652

IUPACN-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
SMILESCC(C)NC(=O)CN1CCC(C2CCCN2)CC1
InChIInChI=1S/C14H27N3O/c1-11(2)16-14(18)10-17-8-5-12(6-9-17)13-4-3-7-15-13/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyWPUPWKVLLNNCPC-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds4

About N-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide

N-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide (PubChem CID 63259652) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
PubChem CID63259652
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
SMILESCC(C)NC(=O)CN1CCC(C2CCCN2)CC1
InChIInChI=1S/C14H27N3O/c1-11(2)16-14(18)10-17-8-5-12(6-9-17)13-4-3-7-15-13/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyWPUPWKVLLNNCPC-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(methylcarbamoyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63259478
N,N-di(propan-2-yl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63259221
N-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63259352
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-pentan-2-ylacetamide
CID 102682853
2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylacetamide
CID 20770430
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 102682749
4-[[2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid
CID 63259654
2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 63596067
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 102683153
2-[4-(2-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 121200085
N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63257535
2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 112703555

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide (CID 63259652) is N-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide is CC(C)NC(=O)CN1CCC(C2CCCN2)CC1.
What is the InChIKey of N-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
The InChIKey is WPUPWKVLLNNCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)16-14(18)10-17-8-5-12(6-9-17)13-4-3-7-15-13/h11-13,15H,3-10H2,1-2H3,(H,16,18).
What are the key properties of N-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
N-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide has a molecular weight of 253.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 63259652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).