(3R,4S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide

C14H24N4O2 — CID 163317688

IUPAC(3R,4S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
SMILESCc1ncn(CCNC(=O)[C@@H]2CN(C)CC[C@@H]2O)c1C
InChIInChI=1S/C14H24N4O2/c1-10-11(2)18(9-16-10)7-5-15-14(20)12-8-17(3)6-4-13(12)19/h9,12-13,19H,4-8H2,1-3H3,(H,15,20)/t12-,13+/m1/s1
InChIKeyDARUBMPHKWJKLD-OLZOCXBDSA-N
MW280.37 g/mol
LogP-0.07
Rot. Bonds4

About (3R,4S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide

(3R,4S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide (PubChem CID 163317688) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (3R,4S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
PubChem CID163317688
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(3R,4S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
SMILESCc1ncn(CCNC(=O)[C@@H]2CN(C)CC[C@@H]2O)c1C
InChIInChI=1S/C14H24N4O2/c1-10-11(2)18(9-16-10)7-5-15-14(20)12-8-17(3)6-4-13(12)19/h9,12-13,19H,4-8H2,1-3H3,(H,15,20)/t12-,13+/m1/s1
InChIKeyDARUBMPHKWJKLD-OLZOCXBDSA-N
XLogP-0.07
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide (CID 163317688) is (3R,4S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide is Cc1ncn(CCNC(=O)[C@@H]2CN(C)CC[C@@H]2O)c1C.
What is the InChIKey of (3R,4S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide?
The InChIKey is DARUBMPHKWJKLD-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-11(2)18(9-16-10)7-5-15-14(20)12-8-17(3)6-4-13(12)19/h9,12-13,19H,4-8H2,1-3H3,(H,15,20)/t12-,13+/m1/s1.
What are the key properties of (3R,4S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide?
(3R,4S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 163317688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).