[4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone

C19H28N2O3 — CID 75472621

IUPAC[4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone
SMILESCCCN(CC1OCCO1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H28N2O3/c1-2-10-21(15-18-23-13-14-24-18)17-8-11-20(12-9-17)19(22)16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3
InChIKeyHKSMUBWNFQZKAJ-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.38
Rot. Bonds6

About [4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone

[4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone (PubChem CID 75472621) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is [4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone
PubChem CID75472621
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name[4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone
SMILESCCCN(CC1OCCO1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H28N2O3/c1-2-10-21(15-18-23-13-14-24-18)17-8-11-20(12-9-17)19(22)16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3
InChIKeyHKSMUBWNFQZKAJ-UHFFFAOYSA-N
XLogP2.38
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzoylpiperidin-4-yl)-2-methyl-N-propyloxolane-3-carboxamide
CID 136519865
N-(1-benzoylpiperidin-4-yl)-N-propylmorpholine-2-carboxamide
CID 119762655
4-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid
CID 119183312
[4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane
CID 144801733
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione
CID 15428765
1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one
CID 59178266
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide
CID 109052323
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
(4-methylsulfanylpiperidin-1-yl)-phenylmethanone
CID 58285191

Frequently Asked Questions

What is the IUPAC name of [4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone (CID 75472621) is [4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone is CCCN(CC1OCCO1)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone?
The InChIKey is HKSMUBWNFQZKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-10-21(15-18-23-13-14-24-18)17-8-11-20(12-9-17)19(22)16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3.
What are the key properties of [4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone?
[4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone has a molecular weight of 332.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1,3-dioxolan-2-ylmethyl(propyl)amino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 75472621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).