(1-pyridin-3-ylpiperidin-4-yl) N,N-di(propan-2-yl)carbamate

C17H27N3O2 — CID 146464348

IUPAC(1-pyridin-3-ylpiperidin-4-yl) N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OC1CCN(c2cccnc2)CC1)C(C)C
InChIInChI=1S/C17H27N3O2/c1-13(2)20(14(3)4)17(21)22-16-7-10-19(11-8-16)15-6-5-9-18-12-15/h5-6,9,12-14,16H,7-8,10-11H2,1-4H3
InChIKeyIQCXGFNHMVSRKC-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.31
Rot. Bonds4

About (1-pyridin-3-ylpiperidin-4-yl) N,N-di(propan-2-yl)carbamate

(1-pyridin-3-ylpiperidin-4-yl) N,N-di(propan-2-yl)carbamate (PubChem CID 146464348) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (1-pyridin-3-ylpiperidin-4-yl) N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name(1-pyridin-3-ylpiperidin-4-yl) N,N-di(propan-2-yl)carbamate
PubChem CID146464348
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(1-pyridin-3-ylpiperidin-4-yl) N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OC1CCN(c2cccnc2)CC1)C(C)C
InChIInChI=1S/C17H27N3O2/c1-13(2)20(14(3)4)17(21)22-16-7-10-19(11-8-16)15-6-5-9-18-12-15/h5-6,9,12-14,16H,7-8,10-11H2,1-4H3
InChIKeyIQCXGFNHMVSRKC-UHFFFAOYSA-N
XLogP3.31
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-pyridin-3-ylpiperidin-4-yl) hypochlorite
CID 174467060
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate
CID 21334263
N-methyl-N-(1-pyridin-3-ylpyrrolidin-3-yl)prop-2-enamide
CID 170551154
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 175830226
1-(2-phenoxyethyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624883
(1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate
CID 174723851
cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate
CID 112738794
1-pyridin-3-ylpiperidine-4-carbonitrile
CID 71721220
2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 70777331
(3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide
CID 97191479

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-3-ylpiperidin-4-yl) N,N-di(propan-2-yl)carbamate?
The IUPAC name of (1-pyridin-3-ylpiperidin-4-yl) N,N-di(propan-2-yl)carbamate (CID 146464348) is (1-pyridin-3-ylpiperidin-4-yl) N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for (1-pyridin-3-ylpiperidin-4-yl) N,N-di(propan-2-yl)carbamate?
The canonical SMILES for (1-pyridin-3-ylpiperidin-4-yl) N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)OC1CCN(c2cccnc2)CC1)C(C)C.
What is the InChIKey of (1-pyridin-3-ylpiperidin-4-yl) N,N-di(propan-2-yl)carbamate?
The InChIKey is IQCXGFNHMVSRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(2)20(14(3)4)17(21)22-16-7-10-19(11-8-16)15-6-5-9-18-12-15/h5-6,9,12-14,16H,7-8,10-11H2,1-4H3.
What are the key properties of (1-pyridin-3-ylpiperidin-4-yl) N,N-di(propan-2-yl)carbamate?
(1-pyridin-3-ylpiperidin-4-yl) N,N-di(propan-2-yl)carbamate has a molecular weight of 305.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-3-ylpiperidin-4-yl) N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 146464348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).