N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]morpholine-4-carboxamide

C18H25N5O2 — CID 76559574

IUPACN-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]morpholine-4-carboxamide
SMILESCN1CCC(NC(=O)N2CCOCC2)CC1c1nc2ccccc2[nH]1
InChIInChI=1S/C18H25N5O2/c1-22-7-6-13(19-18(24)23-8-10-25-11-9-23)12-16(22)17-20-14-4-2-3-5-15(14)21-17/h2-5,13,16H,6-12H2,1H3,(H,19,24)(H,20,21)
InChIKeyIZYOSKPELHPDQN-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.74
Rot. Bonds2

About N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]morpholine-4-carboxamide

N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]morpholine-4-carboxamide (PubChem CID 76559574) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]morpholine-4-carboxamide
PubChem CID76559574
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]morpholine-4-carboxamide
SMILESCN1CCC(NC(=O)N2CCOCC2)CC1c1nc2ccccc2[nH]1
InChIInChI=1S/C18H25N5O2/c1-22-7-6-13(19-18(24)23-8-10-25-11-9-23)12-16(22)17-20-14-4-2-3-5-15(14)21-17/h2-5,13,16H,6-12H2,1H3,(H,19,24)(H,20,21)
InChIKeyIZYOSKPELHPDQN-UHFFFAOYSA-N
XLogP1.74
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-cyclopentylurea;hydrochloride
CID 67266678
N-[(2R,4S)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 67266369
N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 76559603
N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-4-(2,2,2-trifluoroacetyl)benzamide
CID 76559507
1-[(4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea
CID 174192810
1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea;hydrate;hydrochloride
CID 70696573
(4-cyanophenyl) N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]carbamate
CID 134555972
N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-4-fluoro-3-methoxycyclohexa-1,3-diene-1-carboxamide
CID 163652592
1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea;(Z)-but-2-ene
CID 167464720
[2-[[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]amino]-1-indazol-2-yl-2-oxoethyl] 2,2,2-trifluoroacetate
CID 67266249
N-[(2R,4R)-2-(6-chloro-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 25167114
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 76559598

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]morpholine-4-carboxamide (CID 76559574) is N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]morpholine-4-carboxamide is CN1CCC(NC(=O)N2CCOCC2)CC1c1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]morpholine-4-carboxamide?
The InChIKey is IZYOSKPELHPDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-22-7-6-13(19-18(24)23-8-10-25-11-9-23)12-16(22)17-20-14-4-2-3-5-15(14)21-17/h2-5,13,16H,6-12H2,1H3,(H,19,24)(H,20,21).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]morpholine-4-carboxamide?
N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]morpholine-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]morpholine-4-carboxamide is sourced from PubChem (CID 76559574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).