(2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide

C12H21N3O3 — CID 94185282

IUPAC(2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(=O)NC1CC1)N1CCC[C@H](O)C1
InChIInChI=1S/C12H21N3O3/c1-8(15-6-2-3-10(16)7-15)11(17)14-12(18)13-9-4-5-9/h8-10,16H,2-7H2,1H3,(H2,13,14,17,18)/t8-,10+/m1/s1
InChIKeyYONAUZKDQVTTJY-SCZZXKLOSA-N
MW255.32 g/mol
LogP-0.18
Rot. Bonds3

About (2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide

(2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide (PubChem CID 94185282) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide
PubChem CID94185282
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name(2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(=O)NC1CC1)N1CCC[C@H](O)C1
InChIInChI=1S/C12H21N3O3/c1-8(15-6-2-3-10(16)7-15)11(17)14-12(18)13-9-4-5-9/h8-10,16H,2-7H2,1H3,(H2,13,14,17,18)/t8-,10+/m1/s1
InChIKeyYONAUZKDQVTTJY-SCZZXKLOSA-N
XLogP-0.18
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(cyclopropylcarbamoyl)propanamide
CID 34700937
N-cyclopropyl-2-(3-hydroxyazetidin-1-yl)propanamide
CID 63282376
ethyl 1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 46631177
methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
CID 107225880
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
(2R)-N-(cyclohexylcarbamoyl)-2-morpholin-4-ylpropanamide
CID 8903762
2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide
CID 60718862
1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119906559
(3S)-1-[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]-N-hexylpiperidine-3-carboxamide
CID 52504181
N-[1-[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289715
N-(2,6-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 110884119
N-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide
CID 136531999

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide (CID 94185282) is (2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide is C[C@H](C(=O)NC(=O)NC1CC1)N1CCC[C@H](O)C1.
What is the InChIKey of (2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide?
The InChIKey is YONAUZKDQVTTJY-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(15-6-2-3-10(16)7-15)11(17)14-12(18)13-9-4-5-9/h8-10,16H,2-7H2,1H3,(H2,13,14,17,18)/t8-,10+/m1/s1.
What are the key properties of (2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide?
(2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide has a molecular weight of 255.32 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclopropylcarbamoyl)-2-[(3S)-3-hydroxypiperidin-1-yl]propanamide is sourced from PubChem (CID 94185282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).