(4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone

C19H29N3O — CID 56887195

IUPAC(4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone
SMILESCN1CCCN(C(=O)c2ccc(CC3CCCNC3)cc2)CC1
InChIInChI=1S/C19H29N3O/c1-21-10-3-11-22(13-12-21)19(23)18-7-5-16(6-8-18)14-17-4-2-9-20-15-17/h5-8,17,20H,2-4,9-15H2,1H3
InChIKeyFHUHSLYIGVHFRY-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.01
Rot. Bonds3

About (4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone

(4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone (PubChem CID 56887195) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone
PubChem CID56887195
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone
SMILESCN1CCCN(C(=O)c2ccc(CC3CCCNC3)cc2)CC1
InChIInChI=1S/C19H29N3O/c1-21-10-3-11-22(13-12-21)19(23)18-7-5-16(6-8-18)14-17-4-2-9-20-15-17/h5-8,17,20H,2-4,9-15H2,1H3
InChIKeyFHUHSLYIGVHFRY-UHFFFAOYSA-N
XLogP2.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-4-[4-[[(3R)-piperidin-3-yl]methyl]benzoyl]piperazin-2-one
CID 95722482
(2,2-diethylmorpholin-4-yl)-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone
CID 95722792
[4-(1H-imidazol-2-yl)piperidin-1-yl]-[4-(piperidin-3-ylmethyl)phenyl]methanone;dihydrochloride
CID 154893197
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-[[(3S)-piperidin-3-yl]methyl]phenyl]methanone
CID 95711804
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
(4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone
CID 69490917
(4-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 60628706
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(pyrrolidin-3-ylmethyl)phenyl]methanone
CID 166618006
[4-[[[(3S)-piperidin-3-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 95388370
(4-methylpiperidin-1-yl)-[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methanone
CID 95169844
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide
CID 95730046
(4-methyl-1,4-diazepan-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 112791425

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone?
The IUPAC name of (4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone (CID 56887195) is (4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone.
What is the SMILES notation for (4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone?
The canonical SMILES for (4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone is CN1CCCN(C(=O)c2ccc(CC3CCCNC3)cc2)CC1.
What is the InChIKey of (4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone?
The InChIKey is FHUHSLYIGVHFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-21-10-3-11-22(13-12-21)19(23)18-7-5-16(6-8-18)14-17-4-2-9-20-15-17/h5-8,17,20H,2-4,9-15H2,1H3.
What are the key properties of (4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone?
(4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone has a molecular weight of 315.46 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,4-diazepan-1-yl)-[4-(piperidin-3-ylmethyl)phenyl]methanone is sourced from PubChem (CID 56887195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).