N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide

C19H29N3O2 — CID 20907522

IUPACN-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC(CN3CCOCC3)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-16-2-4-17(5-3-16)14-20-19(23)22-8-6-18(7-9-22)15-21-10-12-24-13-11-21/h2-5,18H,6-15H2,1H3,(H,20,23)
InChIKeyYOUITIUCTKEEOM-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.25
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide

N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 20907522) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID20907522
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC(CN3CCOCC3)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-16-2-4-17(5-3-16)14-20-19(23)22-8-6-18(7-9-22)15-21-10-12-24-13-11-21/h2-5,18H,6-15H2,1H3,(H,20,23)
InChIKeyYOUITIUCTKEEOM-UHFFFAOYSA-N
XLogP2.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 92731401
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 78887090
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 86898946
N-(cyclopropylmethyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 55793748
4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 55769235
1-(4-methylphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butane-1,4-dione
CID 110304847
ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate
CID 20907510
N-[(4-methylphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 43053198
(2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 95707481
4-(3-hydroxyazetidin-1-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 162628442
(3R,5S)-N-[(4-methylphenyl)methyl]-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56852768
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide (CID 20907522) is N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide is Cc1ccc(CNC(=O)N2CCC(CN3CCOCC3)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is YOUITIUCTKEEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-16-2-4-17(5-3-16)14-20-19(23)22-8-6-18(7-9-22)15-21-10-12-24-13-11-21/h2-5,18H,6-15H2,1H3,(H,20,23).
What are the key properties of N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 20907522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).