N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide

C14H26N2O3 — CID 114949616

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide
SMILESCC1NCCCC1C(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C14H26N2O3/c1-11-12(4-3-7-15-11)13(17)16(2)10-14(18)5-8-19-9-6-14/h11-12,15,18H,3-10H2,1-2H3
InChIKeyPUHFCVMLRFHXAD-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.37
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide (PubChem CID 114949616) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide
PubChem CID114949616
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide
SMILESCC1NCCCC1C(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C14H26N2O3/c1-11-12(4-3-7-15-11)13(17)16(2)10-14(18)5-8-19-9-6-14/h11-12,15,18H,3-10H2,1-2H3
InChIKeyPUHFCVMLRFHXAD-UHFFFAOYSA-N
XLogP0.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpiperidine-3-carboxamide
CID 114949608
N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 114949609
(2R,3R)-N-ethyl-N,2-dimethylpiperidine-3-carboxamide;hydrochloride
CID 130610203
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 114949080
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 114949202
N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide
CID 105338653
(2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 105359461
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-3-piperidin-3-ylpropanamide
CID 114949066
1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 114951241
N,2-dimethyl-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388240
3-amino-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114951120
2-[methyl-(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79389026

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide (CID 114949616) is N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide is CC1NCCCC1C(=O)N(C)CC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide?
The InChIKey is PUHFCVMLRFHXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11-12(4-3-7-15-11)13(17)16(2)10-14(18)5-8-19-9-6-14/h11-12,15,18H,3-10H2,1-2H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 114949616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).