N-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide

C19H28N4O2 — CID 95714500

IUPACN-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccn1
InChIInChI=1S/C19H28N4O2/c1-2-10-23(13-15-6-7-15)18(24)12-17-19(25)21-9-11-22(17)14-16-5-3-4-8-20-16/h3-5,8,15,17H,2,6-7,9-14H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyBADGSERYUNBGOK-QGZVFWFLSA-N
MW344.46 g/mol
LogP1.42
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide

N-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide (PubChem CID 95714500) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide
PubChem CID95714500
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccn1
InChIInChI=1S/C19H28N4O2/c1-2-10-23(13-15-6-7-15)18(24)12-17-19(25)21-9-11-22(17)14-16-5-3-4-8-20-16/h3-5,8,15,17H,2,6-7,9-14H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyBADGSERYUNBGOK-QGZVFWFLSA-N
XLogP1.42
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
CID 95718298
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 42515124
3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 45229335
N-(piperidin-4-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 114290026
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propyl-N-(pyridin-4-ylmethyl)acetamide
CID 56912099
N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 56891155
N,N-diethyl-2-[1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
CID 154706604
N,N-diethyl-2-[(2S)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 95723381
N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728099
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
CID 95716955
N-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 45208008
N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 106628102

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide (CID 95714500) is N-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide is CCCN(CC1CC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccn1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide?
The InChIKey is BADGSERYUNBGOK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-2-10-23(13-15-6-7-15)18(24)12-17-19(25)21-9-11-22(17)14-16-5-3-4-8-20-16/h3-5,8,15,17H,2,6-7,9-14H2,1H3,(H,21,25)/t17-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide?
N-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide has a molecular weight of 344.46 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide is sourced from PubChem (CID 95714500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).