N-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide

C13H26N4O2 — CID 15078451

IUPACN-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide
SMILESCN(CCN1CC[C@@H](N)[C@@H](O)C1)C(=O)N1CCCC1
InChIInChI=1S/C13H26N4O2/c1-15(13(19)17-5-2-3-6-17)8-9-16-7-4-11(14)12(18)10-16/h11-12,18H,2-10,14H2,1H3/t11-,12+/m1/s1
InChIKeyYOWVXAABKTWYAM-NEPJUHHUSA-N
MW270.38 g/mol
LogP-0.47
Rot. Bonds3

About N-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide

N-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide (PubChem CID 15078451) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide
PubChem CID15078451
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide
SMILESCN(CCN1CC[C@@H](N)[C@@H](O)C1)C(=O)N1CCCC1
InChIInChI=1S/C13H26N4O2/c1-15(13(19)17-5-2-3-6-17)8-9-16-7-4-11(14)12(18)10-16/h11-12,18H,2-10,14H2,1H3/t11-,12+/m1/s1
InChIKeyYOWVXAABKTWYAM-NEPJUHHUSA-N
XLogP-0.47
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide with MolForge

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Related Compounds

N-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 79161541
4-amino-3-hydroxyazepane-1-carboxylic acid
CID 22036680
2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 63209312
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002
N-(cyclobutylmethyl)-N-methylpyrrolidine-1-carboxamide
CID 115621970
3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159569
4-amino-N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 81456883
N-methyl-N-pentylpyrrolidine-1-carboxamide
CID 116654215
N-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide
CID 106441576
N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-ethoxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide
CID 67922931

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide (CID 15078451) is N-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide is CN(CCN1CC[C@@H](N)[C@@H](O)C1)C(=O)N1CCCC1.
What is the InChIKey of N-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide?
The InChIKey is YOWVXAABKTWYAM-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-15(13(19)17-5-2-3-6-17)8-9-16-7-4-11(14)12(18)10-16/h11-12,18H,2-10,14H2,1H3/t11-,12+/m1/s1.
What are the key properties of N-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide?
N-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide has a molecular weight of 270.38 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 15078451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).