(2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide

C15H29N3O2 — CID 111427784

IUPAC(2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide
SMILESCC1CCN(CCCNC(=O)N2CCC[C@H]2CO)CC1
InChIInChI=1S/C15H29N3O2/c1-13-5-10-17(11-6-13)8-3-7-16-15(20)18-9-2-4-14(18)12-19/h13-14,19H,2-12H2,1H3,(H,16,20)/t14-/m0/s1
InChIKeyNBZZBSCLZLBOEC-AWEZNQCLSA-N
MW283.42 g/mol
LogP1.27
Rot. Bonds5

About (2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide

(2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide (PubChem CID 111427784) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide
PubChem CID111427784
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide
SMILESCC1CCN(CCCNC(=O)N2CCC[C@H]2CO)CC1
InChIInChI=1S/C15H29N3O2/c1-13-5-10-17(11-6-13)8-3-7-16-15(20)18-9-2-4-14(18)12-19/h13-14,19H,2-12H2,1H3,(H,16,20)/t14-/m0/s1
InChIKeyNBZZBSCLZLBOEC-AWEZNQCLSA-N
XLogP1.27
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 66261852
(2R)-2-(hydroxymethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 129351492
(2S,4S)-4-fluoro-2-(hydroxymethyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 132289380
N-tert-butyl-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide
CID 132346035
N-butyl-2,4-bis(hydroxymethyl)pyrrolidine-1-carboxamide
CID 138018354
1-[(5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-yl]-1,3-diazinan-2-one
CID 148073975
(s)-N-t-butylaminocarbonyl-2-pyrrolidinylmethanol
CID 79028549
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-1-carboxamide
CID 130014286
2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 102778493
(2R)-2-(hydroxymethyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide
CID 111751251
(2R)-N-[(3R)-3-amino-4-fluorobutyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 143680532
3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 43589574

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide (CID 111427784) is (2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide is CC1CCN(CCCNC(=O)N2CCC[C@H]2CO)CC1.
What is the InChIKey of (2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide?
The InChIKey is NBZZBSCLZLBOEC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-13-5-10-17(11-6-13)8-3-7-16-15(20)18-9-2-4-14(18)12-19/h13-14,19H,2-12H2,1H3,(H,16,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide?
(2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111427784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).