(2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide

C16H31N3O — CID 94411156

IUPAC(2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
SMILESCC(C)CNC(=O)[C@H](C)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)12-17-16(20)14(3)18-10-6-15(7-11-18)19-8-4-5-9-19/h13-15H,4-12H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyQDMHKJOOUJVWPJ-AWEZNQCLSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds5

About (2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide

(2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide (PubChem CID 94411156) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
PubChem CID94411156
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
SMILESCC(C)CNC(=O)[C@H](C)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)12-17-16(20)14(3)18-10-6-15(7-11-18)19-8-4-5-9-19/h13-15H,4-12H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyQDMHKJOOUJVWPJ-AWEZNQCLSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 60820142
N-cyclopropyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 3229556
oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-prop-2-enylpropanamide
CID 171668900
2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid
CID 121201886
2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 63848084
(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 1439732
N-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide
CID 115583674
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide
CID 106672398
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylpropyl)propanamide
CID 81460274
2-[3-methyl-4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 114499044
(2S)-2-(4-cyclopentylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 94062189
ethyl (3R)-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338323

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide?
The IUPAC name of (2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide (CID 94411156) is (2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide is CC(C)CNC(=O)[C@H](C)N1CCC(N2CCCC2)CC1.
What is the InChIKey of (2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide?
The InChIKey is QDMHKJOOUJVWPJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)12-17-16(20)14(3)18-10-6-15(7-11-18)19-8-4-5-9-19/h13-15H,4-12H2,1-3H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide?
(2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide has a molecular weight of 281.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide is sourced from PubChem (CID 94411156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).