N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride

C15H27ClN4O2 — CID 119728726

IUPACN-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCOCCn1cc(NC(=O)CC(C)C2CCNCC2)cn1.Cl
InChIInChI=1S/C15H26N4O2.ClH/c1-12(13-3-5-16-6-4-13)9-15(20)18-14-10-17-19(11-14)7-8-21-2;/h10-13,16H,3-9H2,1-2H3,(H,18,20);1H
InChIKeyNNMDKOCOWPRQGD-UHFFFAOYSA-N
MW330.86 g/mol
LogP1.92
Rot. Bonds7

About N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119728726) has the molecular formula C15H27ClN4O2 and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119728726
Molecular FormulaC15H27ClN4O2
Molecular Weight330.86 g/mol
Exact Mass330.18
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCOCCn1cc(NC(=O)CC(C)C2CCNCC2)cn1.Cl
InChIInChI=1S/C15H26N4O2.ClH/c1-12(13-3-5-16-6-4-13)9-15(20)18-14-10-17-19(11-14)7-8-21-2;/h10-13,16H,3-9H2,1-2H3,(H,18,20);1H
InChIKeyNNMDKOCOWPRQGD-UHFFFAOYSA-N
XLogP1.92
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119728654
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylbutanamide
CID 119728762
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871215
N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119809377
N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine
CID 61017064
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
CID 119728728
2-[4-(3-piperidin-3-ylbutanoylamino)pyrazol-1-yl]acetic acid
CID 81049063
2-(cyclopentylamino)-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
CID 54928520
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-3-ylbutanamide
CID 119728755
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 61179722

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119728726) is N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride is COCCn1cc(NC(=O)CC(C)C2CCNCC2)cn1.Cl.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is NNMDKOCOWPRQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2.ClH/c1-12(13-3-5-16-6-4-13)9-15(20)18-14-10-17-19(11-14)7-8-21-2;/h10-13,16H,3-9H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119728726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).