N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride

C18H27ClN2O2 — CID 119782435

IUPACN-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(C1CCNC1)N(Cc1ccccc1)CC1CCOCC1
InChIInChI=1S/C18H26N2O2.ClH/c21-18(17-6-9-19-12-17)20(13-15-4-2-1-3-5-15)14-16-7-10-22-11-8-16;/h1-5,16-17,19H,6-14H2;1H
InChIKeyVBABTVGNIZDXMB-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.47
Rot. Bonds5

About N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride

N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119782435) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119782435
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(C1CCNC1)N(Cc1ccccc1)CC1CCOCC1
InChIInChI=1S/C18H26N2O2.ClH/c21-18(17-6-9-19-12-17)20(13-15-4-2-1-3-5-15)14-16-7-10-22-11-8-16;/h1-5,16-17,19H,6-14H2;1H
InChIKeyVBABTVGNIZDXMB-UHFFFAOYSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide
CID 119782436
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide
CID 63005731
N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63007100
benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride
CID 67098710
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770885
N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119759596
(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216
N-(2-amino-2-oxoethyl)-N-benzylpiperidine-3-carboxamide
CID 119323255
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
4-[[benzyl(oxan-4-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023573
(3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide
CID 129343717

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119782435) is N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(C1CCNC1)N(Cc1ccccc1)CC1CCOCC1.
What is the InChIKey of N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is VBABTVGNIZDXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c21-18(17-6-9-19-12-17)20(13-15-4-2-1-3-5-15)14-16-7-10-22-11-8-16;/h1-5,16-17,19H,6-14H2;1H.
What are the key properties of N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride?
N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119782435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).