N,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide

C17H30N4O — CID 90495302

IUPACN,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCC(C)N(C(=O)CN1CCC(Cn2cccn2)CC1)C(C)C
InChIInChI=1S/C17H30N4O/c1-14(2)21(15(3)4)17(22)13-19-10-6-16(7-11-19)12-20-9-5-8-18-20/h5,8-9,14-16H,6-7,10-13H2,1-4H3
InChIKeyPTTQXLNNYJGHGQ-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.24
Rot. Bonds6

About N,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide

N,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 90495302) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID90495302
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCC(C)N(C(=O)CN1CCC(Cn2cccn2)CC1)C(C)C
InChIInChI=1S/C17H30N4O/c1-14(2)21(15(3)4)17(22)13-19-10-6-16(7-11-19)12-20-9-5-8-18-20/h5,8-9,14-16H,6-7,10-13H2,1-4H3
InChIKeyPTTQXLNNYJGHGQ-UHFFFAOYSA-N
XLogP2.24
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90495300
ethyl 2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetate
CID 90495334
N-propyl-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90495298
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
2-(4-aminopiperidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 43556875
1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine
CID 90495378
cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495103
(1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 52906708
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
CID 90494857
2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 81491532
N-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 86895490
methyl 4-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]benzoate
CID 90495331

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 90495302) is N,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide is CC(C)N(C(=O)CN1CCC(Cn2cccn2)CC1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is PTTQXLNNYJGHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-14(2)21(15(3)4)17(22)13-19-10-6-16(7-11-19)12-20-9-5-8-18-20/h5,8-9,14-16H,6-7,10-13H2,1-4H3.
What are the key properties of N,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide?
N,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 306.45 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 90495302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).