(2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide

C19H31N3O3 — CID 95337144

IUPAC(2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide
SMILESCC(C)CCO[C@@H](C)C(=O)Nc1cccnc1N1CCC(CO)CC1
InChIInChI=1S/C19H31N3O3/c1-14(2)8-12-25-15(3)19(24)21-17-5-4-9-20-18(17)22-10-6-16(13-23)7-11-22/h4-5,9,14-16,23H,6-8,10-13H2,1-3H3,(H,21,24)/t15-/m0/s1
InChIKeyGNXKWLNOWUIRJV-HNNXBMFYSA-N
MW349.48 g/mol
LogP2.68
Rot. Bonds8

About (2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide

(2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide (PubChem CID 95337144) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide
PubChem CID95337144
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide
SMILESCC(C)CCO[C@@H](C)C(=O)Nc1cccnc1N1CCC(CO)CC1
InChIInChI=1S/C19H31N3O3/c1-14(2)8-12-25-15(3)19(24)21-17-5-4-9-20-18(17)22-10-6-16(13-23)7-11-22/h4-5,9,14-16,23H,6-8,10-13H2,1-3H3,(H,21,24)/t15-/m0/s1
InChIKeyGNXKWLNOWUIRJV-HNNXBMFYSA-N
XLogP2.68
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006
(2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 95273188
6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide
CID 111338627
3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 111338613
[1-(3-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 62254085
3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 106111464
2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 43700405
(2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide
CID 94821236
2-amino-N-(2-morpholin-4-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 119845832
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 79011469
2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
CID 47354331
4-hydroxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 79200601

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide?
The IUPAC name of (2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide (CID 95337144) is (2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide.
What is the SMILES notation for (2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide?
The canonical SMILES for (2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide is CC(C)CCO[C@@H](C)C(=O)Nc1cccnc1N1CCC(CO)CC1.
What is the InChIKey of (2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide?
The InChIKey is GNXKWLNOWUIRJV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-14(2)8-12-25-15(3)19(24)21-17-5-4-9-20-18(17)22-10-6-16(13-23)7-11-22/h4-5,9,14-16,23H,6-8,10-13H2,1-3H3,(H,21,24)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide?
(2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide has a molecular weight of 349.48 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylbutoxy)propanamide is sourced from PubChem (CID 95337144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).