N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide

C19H29N3O3 — CID 122556550

IUPACN-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
SMILESCc1cccc(OC2CN(C(=O)NCCN3CCC(CO)CC3)C2)c1
InChIInChI=1S/C19H29N3O3/c1-15-3-2-4-17(11-15)25-18-12-22(13-18)19(24)20-7-10-21-8-5-16(14-23)6-9-21/h2-4,11,16,18,23H,5-10,12-14H2,1H3,(H,20,24)
InChIKeyRTMSCBVDSQMVLG-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.47
Rot. Bonds6

About N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide

N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide (PubChem CID 122556550) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
PubChem CID122556550
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
SMILESCc1cccc(OC2CN(C(=O)NCCN3CCC(CO)CC3)C2)c1
InChIInChI=1S/C19H29N3O3/c1-15-3-2-4-17(11-15)25-18-12-22(13-18)19(24)20-7-10-21-8-5-16(14-23)6-9-21/h2-4,11,16,18,23H,5-10,12-14H2,1H3,(H,20,24)
InChIKeyRTMSCBVDSQMVLG-UHFFFAOYSA-N
XLogP1.47
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenoxy)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]azetidine-1-carboxamide
CID 121495362
3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide
CID 125446145
N-[2-(dimethylamino)ethyl]-3-(3-methylphenoxy)pyrrolidine-1-carboxamide;oxalic acid
CID 159475474
N-[2-(diethylamino)ethyl]-3-(3-methylphenoxy)pyrrolidine-1-carboxamide;oxalic acid
CID 158715651
N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
CID 122571233
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide
CID 125167110
4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide
CID 112969940
4-[(3-methylphenoxy)methyl]-N-propylpiperidine-1-carboxamide
CID 110638938
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
N-(2-hydroxyethyl)-3-naphthalen-2-yloxyazetidine-1-carboxamide
CID 23558804
methyl N-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70757574
4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 110356943

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide (CID 122556550) is N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide is Cc1cccc(OC2CN(C(=O)NCCN3CCC(CO)CC3)C2)c1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide?
The InChIKey is RTMSCBVDSQMVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15-3-2-4-17(11-15)25-18-12-22(13-18)19(24)20-7-10-21-8-5-16(14-23)6-9-21/h2-4,11,16,18,23H,5-10,12-14H2,1H3,(H,20,24).
What are the key properties of N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide?
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide is sourced from PubChem (CID 122556550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).