N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide

C17H31N3O2 — CID 119779313

IUPACN-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1CCCN(C(=O)CNCC2CC2)C1
InChIInChI=1S/C17H31N3O2/c1-17(2,3)16(22)19-10-14-5-4-8-20(12-14)15(21)11-18-9-13-6-7-13/h13-14,18H,4-12H2,1-3H3,(H,19,22)
InChIKeyQVHGPWUDBZGODP-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.39
Rot. Bonds6

About N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide

N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 119779313) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
PubChem CID119779313
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1CCCN(C(=O)CNCC2CC2)C1
InChIInChI=1S/C17H31N3O2/c1-17(2,3)16(22)19-10-14-5-4-8-20(12-14)15(21)11-18-9-13-6-7-13/h13-14,18H,4-12H2,1-3H3,(H,19,22)
InChIKeyQVHGPWUDBZGODP-UHFFFAOYSA-N
XLogP1.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119781761
2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid
CID 62689796
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 93040618
2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid
CID 106813693
(3S)-3-[(2,2-dimethylpropanoylamino)methyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 96532461
2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 54990051
1-[2-(cyclopropylmethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113266805
2-[1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidin-3-yl]acetic acid
CID 62689900
N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 97011282
2-[3-[(2,2-dimethylpropanoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119135503
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide (CID 119779313) is N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC1CCCN(C(=O)CNCC2CC2)C1.
What is the InChIKey of N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is QVHGPWUDBZGODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-17(2,3)16(22)19-10-14-5-4-8-20(12-14)15(21)11-18-9-13-6-7-13/h13-14,18H,4-12H2,1-3H3,(H,19,22).
What are the key properties of N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide?
N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 309.45 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 119779313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).