(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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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).