(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide

C19H29N3O2 — CID 95150991

IUPAC(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
SMILESC[C@H](OCC1CC1)C(=O)N(C)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H29N3O2/c1-15(24-14-17-3-4-17)19(23)21(2)18-7-11-22(12-8-18)13-16-5-9-20-10-6-16/h5-6,9-10,15,17-18H,3-4,7-8,11-14H2,1-2H3/t15-/m0/s1
InChIKeyJYXAQKPPDNKOEA-HNNXBMFYSA-N
MW331.46 g/mol
LogP2.32
Rot. Bonds7

About (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide

(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide (PubChem CID 95150991) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
PubChem CID95150991
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
SMILESC[C@H](OCC1CC1)C(=O)N(C)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H29N3O2/c1-15(24-14-17-3-4-17)19(23)21(2)18-7-11-22(12-8-18)13-16-5-9-20-10-6-16/h5-6,9-10,15,17-18H,3-4,7-8,11-14H2,1-2H3/t15-/m0/s1
InChIKeyJYXAQKPPDNKOEA-HNNXBMFYSA-N
XLogP2.32
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide?
The IUPAC name of (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide (CID 95150991) is (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide?
The canonical SMILES for (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide is C[C@H](OCC1CC1)C(=O)N(C)C1CCN(Cc2ccncc2)CC1.
What is the InChIKey of (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide?
The InChIKey is JYXAQKPPDNKOEA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(24-14-17-3-4-17)19(23)21(2)18-7-11-22(12-8-18)13-16-5-9-20-10-6-16/h5-6,9-10,15,17-18H,3-4,7-8,11-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide?
(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide has a molecular weight of 331.46 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 95150991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).